General Information of the Compound
| Compound ID |
CP0957267
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| Compound Name |
(8S,9S,10R,13S,14S)-6-fluoro-10,13-dimethyl-17-(pyridin-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
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| Structure |
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| Formula |
C24H28FNO
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| Molecular Weight |
365.492
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| Canonical SMILES |
C[C@]12CCC(=O)C=C1C(F)C[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12
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| InChI |
InChI=1S/C24H28FNO/c1-23-10-8-20-17(13-22(25)21-12-16(27)7-9-24(20,21)2)19(23)6-5-18(23)15-4-3-11-26-14-15/h3-5,11-12,14,17,19-20,22H,6-10,13H2,1-2H3/t17-,19-,20-,22?,23+,24+/m0/s1
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| InChIKey |
KTOVARHSIHCDSW-WTFVVCFVSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound